orbital_charges     :real:2:4,6
  0.612841127007438E+000  0.439283262137796E+000  0.252657741955530E-001
  0.461468844527795E+000  0.614002038893491E+000  0.433736714422553E+000
  0.338278390384725E-001  0.459949715294315E+000  0.480199688129761E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.478480893057048E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.478451945837211E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.482492157458570E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,6
 -0.311690468428490E+000  0.136745910668876E-001  0.482087195022669E-002
  0.320191686281106E+000 -0.115263848041815E-001  0.194130292580432E-002
  0.786169631562208E-002 -0.104886778098445E-001  0.795098524470383E-002
  0.128377908920969E-002  0.697556362323465E-003 -0.120076030149943E-001
 -0.837504625793635E-002 -0.493906909161891E-002 -0.109652110611086E-001
 -0.927164699951100E-002  0.125819842764339E-001  0.825965395536812E-002
mermin_energy       :real:0:
 -0.464098358124658E+001
end_coords          :real:2:3,6
 -0.128243929851943E+001  0.120076212875887E-001 -0.702458582077099E-001
  0.120136687886973E+001 -0.352212798929305E-002 -0.772159235439844E-001
 -0.240923297894842E+001  0.179495536097774E+001 -0.167165916840087E+000
 -0.237889354158535E+001 -0.174027285137498E+001 -0.209048254075640E+000
  0.239190105468801E+001  0.171296289043598E+001 -0.229930992365849E+000
  0.230880286767582E+001 -0.181206807702347E+001 -0.956482352475437E-001
